Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model

preprint2023arXivOpen access

Abstract

We present a mathematical analysis of the spin-constrained Hartree-Fock solutions (CHF) of the 2-site Hubbard model. The analysis sheds light on the spin symmetry breaking process around the Coulson-Fischer point. CHF states are useful as input states for the Generator Coordinate Method (GCM) in which CHF states can be used as a basis for multiconfigurational calculations in the Hill-Wheeler equations. The spin degree of freedom provides the generator coordinate in the GCM related to static electron correlation.

Explore this paper’s authors, topics and related work.

Building this map preview

BZPEER is loading the nearby papers, people, topics and institutions for this page.

Reviews 0

Write a reviewWrite

No reviews yet.

Discussion 0

Add a commentWrite

No comments yet.